1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine

C15H27N5 — CID 81198155

IUPAC1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine
SMILESCN1CCCC2CN(CCCn3ccc(N)n3)CCC21
InChIInChI=1S/C15H27N5/c1-18-7-2-4-13-12-19(10-5-14(13)18)8-3-9-20-11-6-15(16)17-20/h6,11,13-14H,2-5,7-10,12H2,1H3,(H2,16,17)
InChIKeyVXWNEYLJASTVJK-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.27
Rot. Bonds4

About 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine

1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine (PubChem CID 81198155) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine
PubChem CID81198155
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine
SMILESCN1CCCC2CN(CCCn3ccc(N)n3)CCC21
InChIInChI=1S/C15H27N5/c1-18-7-2-4-13-12-19(10-5-14(13)18)8-3-9-20-11-6-15(16)17-20/h6,11,13-14H,2-5,7-10,12H2,1H3,(H2,16,17)
InChIKeyVXWNEYLJASTVJK-UHFFFAOYSA-N
XLogP1.27
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine (CID 81198155) is 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine is CN1CCCC2CN(CCCn3ccc(N)n3)CCC21.
What is the InChIKey of 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine?
The InChIKey is VXWNEYLJASTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-18-7-2-4-13-12-19(10-5-14(13)18)8-3-9-20-11-6-15(16)17-20/h6,11,13-14H,2-5,7-10,12H2,1H3,(H2,16,17).
What are the key properties of 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine?
1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine has a molecular weight of 277.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine is sourced from PubChem (CID 81198155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).